PRD_002506
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | O4 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | O1 | sing | 1.43Å | 1.43Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | O2 | sing | 1.43Å | 1.42Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
C4 | O3 | sing | 1.43Å | 1.45Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | O4 | sing | 1.43Å | 1.44Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | O5 | sing | 1.43Å | 1.43Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
O1 | H8 | sing | 0.97Å | 0.95Å | |
O2 | H9 | sing | 0.97Å | 0.95Å | |
O5 | H10 | sing | 0.97Å | 0.95Å | |
C7 | C8 | sing | 1.53Å | 1.52Å | |
C7 | O6 | sing | 1.43Å | 1.42Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.54Å | 1.54Å | |
C8 | O7 | sing | 1.43Å | 1.51Å | |
C8 | O10 | sing | 1.44Å | 1.43Å | |
C9 | C10 | sing | 1.55Å | 1.53Å | |
C9 | O8 | sing | 1.43Å | 1.43Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C10 | C11 | sing | 1.55Å | 1.53Å | |
C10 | O9 | sing | 1.43Å | 1.42Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C11 | C12 | sing | 1.53Å | 1.51Å | |
C11 | O10 | sing | 1.44Å | 1.43Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C12 | O11 | sing | 1.43Å | 1.43Å | |
C12 | H16 | sing | 1.09Å | 1.10Å | |
C12 | H17 | sing | 1.09Å | 1.10Å | |
O6 | H18 | sing | 0.97Å | 0.95Å | |
O8 | H19 | sing | 0.97Å | 0.95Å | |
O9 | H20 | sing | 0.97Å | 0.95Å | |
O11 | H21 | sing | 0.97Å | 0.95Å | |
C17 | O18 | sing | 1.43Å | 1.44Å | |
C17 | C16 | sing | 1.53Å | 1.52Å | |
C16 | O19 | sing | 1.43Å | 1.45Å | |
C16 | C18 | sing | 1.53Å | 1.55Å | |
O19 | C13 | sing | 1.43Å | 1.44Å | |
O12 | C13 | sing | 1.43Å | 1.46Å | |
O17 | C18 | sing | 1.43Å | 1.46Å | |
C13 | C14 | sing | 1.53Å | 1.49Å | |
C18 | C15 | sing | 1.53Å | 1.49Å | |
C15 | C14 | sing | 1.53Å | 1.51Å | |
C15 | O16 | sing | 1.43Å | 1.45Å | |
C14 | O13 | sing | 1.43Å | 1.43Å | |
O13 | P1 | sing | 1.61Å | 1.57Å | |
O14 | P1 | doub | 1.48Å | 1.48Å | |
P1 | O15 | sing | 1.61Å | 1.48Å | |
C13 | H22 | sing | 1.09Å | 1.10Å | |
O12 | H23 | sing | 0.97Å | 0.95Å | |
C14 | H24 | sing | 1.09Å | 1.10Å | |
C15 | H25 | sing | 1.09Å | 1.10Å | |
C16 | H26 | sing | 1.09Å | 1.10Å | |
C17 | H27 | sing | 1.09Å | 1.10Å | |
C17 | H28 | sing | 1.09Å | 1.10Å | |
O15 | H29 | sing | 0.97Å | 0.95Å | |
O16 | H30 | sing | 0.97Å | 0.95Å | |
C18 | H31 | sing | 1.09Å | 1.10Å | |
O17 | H32 | sing | 0.97Å | 0.95Å | |
O18 | H33 | sing | 0.97Å | 0.95Å | |
C1 | O7 | sing | 1.43Å | 1.42Å | |
O3 | P1 | sing | 1.61Å | 1.64Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O4 | 109.7° | 109.4° |
C2 | C1 | H1 | 107.6° | 109.5° |
C1 | C2 | C3 | 109.3° | 109.1° |
C1 | C2 | O1 | 109.1° | 109.5° |
C1 | C2 | H2 | 108.8° | 109.5° |
C2 | C1 | O7 | 108.5° | 109.5° |
O4 | C1 | H1 | 108.6° | 109.5° |
C1 | O4 | C5 | 114.7° | 114.1° |
O4 | C1 | O7 | 113.5° | 109.5° |
H1 | C1 | O7 | 108.8° | 109.5° |
C3 | C2 | O1 | 111.0° | 109.5° |
C3 | C2 | H2 | 108.7° | 109.5° |
C2 | C3 | C4 | 109.8° | 109.0° |
C2 | C3 | O2 | 109.8° | 109.5° |
C2 | C3 | H3 | 108.6° | 109.6° |
O1 | C2 | H2 | 109.9° | 109.6° |
C2 | O1 | H8 | 109.5° | 114.1° |
C4 | C3 | O2 | 110.0° | 109.6° |
C4 | C3 | H3 | 108.5° | 109.5° |
C3 | C4 | C5 | 109.6° | 109.2° |
C3 | C4 | O3 | 101.2° | 109.5° |
C3 | C4 | H4 | 113.8° | 109.6° |
O2 | C3 | H3 | 110.0° | 109.6° |
C3 | O2 | H9 | 109.5° | 114.0° |
C5 | C4 | O3 | 101.8° | 109.5° |
C5 | C4 | H4 | 113.9° | 109.5° |
C4 | C5 | C6 | 112.6° | 109.5° |
C4 | C5 | O4 | 110.1° | 109.4° |
C4 | C5 | H5 | 108.6° | 109.5° |
O3 | C4 | H4 | 115.2° | 109.6° |
C4 | O3 | P1 | 126.0° | 123.0° |
C6 | C5 | O4 | 106.9° | 109.4° |
C6 | C5 | H5 | 108.8° | 109.5° |
C5 | C6 | O5 | 111.8° | 109.5° |
C5 | C6 | H6 | 108.9° | 109.5° |
C5 | C6 | H7 | 108.9° | 109.5° |
O4 | C5 | H5 | 109.8° | 109.5° |
O5 | C6 | H6 | 108.9° | 109.4° |
O5 | C6 | H7 | 108.9° | 109.5° |
C6 | O5 | H10 | 109.5° | 114.1° |
H6 | C6 | H7 | 109.4° | 109.4° |
C8 | C7 | O6 | 111.5° | 109.5° |
C8 | C7 | H11 | 108.9° | 109.4° |
C8 | C7 | H12 | 109.0° | 109.5° |
C7 | C8 | C9 | 114.7° | 109.9° |
C7 | C8 | O7 | 119.9° | 109.9° |
C7 | C8 | O10 | 106.4° | 109.9° |
O6 | C7 | H11 | 108.9° | 109.4° |
O6 | C7 | H12 | 108.9° | 109.5° |
C7 | O6 | H18 | 109.5° | 114.0° |
H11 | C7 | H12 | 109.5° | 109.5° |
C9 | C8 | O7 | 112.8° | 109.9° |
C9 | C8 | O10 | 107.2° | 107.3° |
C8 | C9 | C10 | 101.6° | 104.2° |
C8 | C9 | O8 | 112.1° | 110.5° |
C8 | C9 | H13 | 109.0° | 110.5° |
O7 | C8 | O10 | 92.2° | 110.0° |
C8 | O7 | C1 | 129.3° | 114.0° |
C8 | O10 | C11 | 111.5° | 107.0° |
C10 | C9 | O8 | 114.0° | 110.5° |
C10 | C9 | H13 | 109.2° | 110.5° |
C9 | C10 | C11 | 104.5° | 102.1° |
C9 | C10 | O9 | 110.5° | 110.9° |
C9 | C10 | H14 | 109.4° | 110.9° |
O8 | C9 | H13 | 110.6° | 110.5° |
C9 | O8 | H19 | 109.5° | 114.0° |
C11 | C10 | O9 | 111.7° | 110.9° |
C11 | C10 | H14 | 109.5° | 110.9° |
C10 | C11 | C12 | 115.8° | 110.6° |
C10 | C11 | O10 | 105.5° | 103.5° |
C10 | C11 | H15 | 108.4° | 110.6° |
O9 | C10 | H14 | 111.0° | 110.9° |
C10 | O9 | H20 | 109.5° | 114.0° |
C12 | C11 | O10 | 108.6° | 110.6° |
C12 | C11 | H15 | 108.6° | 110.5° |
C11 | C12 | O11 | 111.1° | 109.4° |
C11 | C12 | H16 | 109.1° | 109.5° |
C11 | C12 | H17 | 109.1° | 109.5° |
O10 | C11 | H15 | 109.8° | 110.8° |
O11 | C12 | H16 | 109.1° | 109.4° |
O11 | C12 | H17 | 109.1° | 109.5° |
C12 | O11 | H21 | 109.5° | 114.0° |
H16 | C12 | H17 | 109.5° | 109.5° |
O18 | C17 | C16 | 108.9° | 109.4° |
O18 | C17 | H27 | 109.6° | 109.5° |
O18 | C17 | H28 | 109.6° | 109.5° |
C17 | O18 | H33 | 109.5° | 114.0° |
C17 | C16 | O19 | 108.8° | 109.5° |
C17 | C16 | C18 | 114.3° | 109.5° |
C17 | C16 | H26 | 107.9° | 109.5° |
C16 | C17 | H27 | 109.6° | 109.5° |
C16 | C17 | H28 | 109.6° | 109.5° |
O19 | C16 | C18 | 109.4° | 109.4° |
C16 | O19 | C13 | 113.9° | 114.1° |
O19 | C16 | H26 | 108.7° | 109.5° |
C16 | C18 | O17 | 110.3° | 109.5° |
C16 | C18 | C15 | 109.4° | 109.2° |
C18 | C16 | H26 | 107.6° | 109.5° |
C16 | C18 | H31 | 108.7° | 109.5° |
O19 | C13 | O12 | 107.9° | 109.6° |
O19 | C13 | C14 | 113.3° | 109.4° |
O19 | C13 | H22 | 109.4° | 109.5° |
O12 | C13 | C14 | 108.3° | 109.5° |
O12 | C13 | H22 | 109.1° | 109.5° |
C13 | O12 | H23 | 109.5° | 113.9° |
O17 | C18 | C15 | 109.2° | 109.6° |
O17 | C18 | H31 | 109.9° | 109.6° |
C18 | O17 | H32 | 109.5° | 114.0° |
C13 | C14 | C15 | 110.4° | 109.2° |
C13 | C14 | O13 | 110.5° | 109.5° |
C14 | C13 | H22 | 108.7° | 109.4° |
C13 | C14 | H24 | 109.9° | 109.6° |
C18 | C15 | C14 | 112.9° | 109.0° |
C18 | C15 | O16 | 111.4° | 109.5° |
C18 | C15 | H25 | 108.0° | 109.6° |
C15 | C18 | H31 | 109.4° | 109.5° |
C14 | C15 | O16 | 108.2° | 109.6° |
C15 | C14 | O13 | 105.5° | 109.5° |
C15 | C14 | H24 | 109.6° | 109.5° |
C14 | C15 | H25 | 107.7° | 109.5° |
O16 | C15 | H25 | 108.5° | 109.6° |
C15 | O16 | H30 | 109.5° | 114.0° |
C14 | O13 | P1 | 124.3° | 123.0° |
O13 | C14 | H24 | 110.8° | 109.5° |
O13 | P1 | O14 | 107.5° | 109.5° |
O13 | P1 | O15 | 104.5° | 109.5° |
O13 | P1 | O3 | 105.9° | 109.5° |
O14 | P1 | O15 | 122.2° | 109.5° |
O14 | P1 | O3 | 109.7° | 109.5° |
P1 | O15 | H29 | 109.5° | 114.0° |
O15 | P1 | O3 | 105.9° | 109.4° |
H27 | C17 | H28 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O4 | H1 | 117.4° | 120.0° |
C2 | C1 | O4 | O7 | 121.6° | 120.0° |
C2 | C1 | H1 | O7 | 117.4° | 120.0° |
C1 | C2 | C3 | O1 | 120.3° | 119.9° |
C1 | C2 | C3 | H2 | 118.6° | 119.9° |
C1 | C2 | O1 | H2 | 119.3° | 120.1° |
C1 | C2 | C3 | C4 | 57.4° | 57.0° |
C1 | C2 | C3 | O2 | 178.6° | 176.9° |
C1 | C2 | C3 | H3 | 61.1° | 62.9° |
C2 | C1 | O4 | C5 | 59.7° | 61.2° |
C1 | C2 | O1 | H8 | 180.0° | 60.0° |
C2 | C1 | O7 | C8 | 123.3° | 170.1° |
O4 | C1 | H1 | O7 | 123.9° | 120.0° |
O4 | C1 | C2 | C3 | 57.8° | 57.6° |
O4 | C1 | C2 | O1 | 179.3° | 177.5° |
O4 | C1 | C2 | H2 | 60.8° | 62.3° |
C1 | O4 | C5 | C4 | 58.2° | 61.2° |
C1 | O4 | C5 | C6 | 179.2° | 178.8° |
C1 | O4 | C5 | H5 | 61.4° | 58.9° |
O4 | C1 | O7 | C8 | 114.5° | 69.9° |
H1 | C1 | C2 | C3 | 175.8° | 177.6° |
H1 | C1 | C2 | O1 | 62.7° | 62.5° |
H1 | C1 | C2 | H2 | 57.2° | 57.7° |
H1 | C1 | O4 | C5 | 177.1° | 178.9° |
H1 | C1 | O7 | C8 | 6.5° | 50.1° |
C3 | C2 | O1 | H2 | 120.3° | 120.2° |
C2 | C3 | C4 | O2 | 121.0° | 119.8° |
C2 | C3 | C4 | H3 | 118.6° | 119.9° |
C2 | C3 | O2 | H3 | 119.5° | 120.2° |
C2 | C3 | C4 | C5 | 56.0° | 57.0° |
C2 | C3 | C4 | O3 | 163.0° | 176.9° |
C2 | C3 | C4 | H4 | 72.9° | 62.9° |
C3 | C2 | O1 | H8 | 59.6° | 179.6° |
C2 | C3 | O2 | H9 | 180.0° | 60.0° |
C3 | C2 | C1 | O7 | 66.7° | 62.3° |
O1 | C2 | C3 | C4 | 177.8° | 176.9° |
O1 | C2 | C3 | O2 | 61.1° | 63.3° |
O1 | C2 | C3 | H3 | 59.2° | 57.0° |
O1 | C2 | C1 | O7 | 54.8° | 57.6° |
H2 | C2 | C3 | C4 | 61.2° | 62.9° |
H2 | C2 | C3 | O2 | 60.0° | 57.0° |
H2 | C2 | C3 | H3 | 179.7° | 177.3° |
H2 | C2 | O1 | H8 | 60.7° | 60.1° |
H2 | C2 | C1 | O7 | 174.8° | 177.7° |
C4 | C3 | O2 | H3 | 119.5° | 120.2° |
C3 | C4 | C5 | O3 | 106.5° | 119.9° |
C3 | C4 | C5 | H4 | 128.8° | 119.9° |
C3 | C4 | O3 | H4 | 123.2° | 120.2° |
C3 | C4 | C5 | C6 | 173.9° | 177.6° |
C3 | C4 | C5 | O4 | 54.8° | 57.6° |
C3 | C4 | C5 | H5 | 65.5° | 62.4° |
C4 | C3 | O2 | H9 | 58.9° | 179.5° |
C3 | C4 | O3 | P1 | 128.2° | 120.0° |
O2 | C3 | C4 | C5 | 177.0° | 176.8° |
O2 | C3 | C4 | O3 | 76.0° | 63.3° |
O2 | C3 | C4 | H4 | 48.2° | 56.9° |
H3 | C3 | C4 | C5 | 62.6° | 62.9° |
H3 | C3 | C4 | O3 | 44.4° | 57.0° |
H3 | C3 | C4 | H4 | 168.5° | 177.2° |
H3 | C3 | O2 | H9 | 60.6° | 60.2° |
C5 | C4 | O3 | H4 | 123.8° | 120.1° |
C4 | C5 | C6 | O4 | 121.0° | 119.9° |
C4 | C5 | C6 | H5 | 120.5° | 120.1° |
C4 | C5 | O4 | H5 | 119.6° | 120.0° |
C4 | C5 | C6 | O5 | 84.9° | 175.0° |
C4 | C5 | C6 | H6 | 154.7° | 55.0° |
C4 | C5 | C6 | H7 | 35.5° | 65.0° |
C5 | C4 | O3 | P1 | 118.8° | 120.3° |
O3 | C4 | C5 | C6 | 79.6° | 62.5° |
O3 | C4 | C5 | O4 | 161.3° | 177.5° |
O3 | C4 | C5 | H5 | 41.1° | 57.5° |
C4 | O3 | P1 | O13 | 105.8° | 175.0° |
C4 | O3 | P1 | O14 | 10.0° | 55.0° |
C4 | O3 | P1 | O15 | 143.7° | 65.0° |
H4 | C4 | C5 | C6 | 45.1° | 57.6° |
H4 | C4 | C5 | O4 | 74.0° | 62.3° |
H4 | C4 | C5 | H5 | 165.7° | 177.7° |
H4 | C4 | O3 | P1 | 5.0° | 0.1° |
C6 | C5 | O4 | H5 | 117.9° | 120.0° |
C5 | C6 | O5 | H6 | 120.4° | 120.0° |
C5 | C6 | O5 | H7 | 120.4° | 120.0° |
C5 | C6 | H6 | H7 | 118.9° | 120.0° |
C5 | C6 | O5 | H10 | 180.0° | 180.0° |
O4 | C5 | C6 | O5 | 36.1° | 65.1° |
O4 | C5 | C6 | H6 | 84.3° | 174.9° |
O4 | C5 | C6 | H7 | 156.5° | 55.0° |
C5 | O4 | C1 | O7 | 61.9° | 58.8° |
H5 | C5 | C6 | O5 | 154.6° | 54.9° |
H5 | C5 | C6 | H6 | 34.2° | 65.1° |
H5 | C5 | C6 | H7 | 85.1° | 175.0° |
O5 | C6 | H6 | H7 | 119.0° | 120.0° |
H6 | C6 | O5 | H10 | 59.7° | 60.0° |
H7 | C6 | O5 | H10 | 59.6° | 60.0° |
C8 | C7 | O6 | H11 | 120.3° | 119.9° |
C8 | C7 | O6 | H12 | 120.3° | 120.0° |
C8 | C7 | H11 | H12 | 119.1° | 120.0° |
C7 | C8 | C9 | O7 | 142.1° | 121.0° |
C7 | C8 | C9 | O10 | 117.9° | 119.4° |
C7 | C8 | O7 | O10 | 110.4° | 121.1° |
C7 | C8 | C9 | C10 | 142.3° | 117.4° |
C7 | C8 | C9 | O8 | 95.6° | 123.9° |
C7 | C8 | C9 | H13 | 27.1° | 1.3° |
C7 | C8 | O10 | C11 | 131.4° | 92.8° |
C8 | C7 | O6 | H18 | 180.0° | 180.0° |
C7 | C8 | O7 | C1 | 55.4° | 54.6° |
O6 | C7 | H11 | H12 | 119.0° | 120.0° |
O6 | C7 | C8 | C9 | 74.4° | 172.3° |
O6 | C7 | C8 | O7 | 64.8° | 66.7° |
O6 | C7 | C8 | O10 | 167.3° | 54.5° |
H11 | C7 | C8 | C9 | 45.9° | 67.8° |
H11 | C7 | C8 | O7 | 174.9° | 53.2° |
H11 | C7 | C8 | O10 | 72.4° | 174.4° |
H11 | C7 | O6 | H18 | 59.7° | 60.1° |
H12 | C7 | C8 | C9 | 165.3° | 52.3° |
H12 | C7 | C8 | O7 | 55.5° | 173.3° |
H12 | C7 | C8 | O10 | 47.0° | 65.5° |
H12 | C7 | O6 | H18 | 59.7° | 60.0° |
C9 | C8 | O7 | O10 | 109.7° | 117.8° |
C8 | C9 | C10 | O8 | 120.7° | 118.7° |
C8 | C9 | C10 | H13 | 115.0° | 118.7° |
C8 | C9 | O8 | H13 | 121.8° | 122.6° |
C8 | C9 | C10 | C11 | 30.7° | 20.9° |
C8 | C9 | C10 | O9 | 151.0° | 139.1° |
C8 | C9 | C10 | H14 | 86.5° | 97.3° |
C9 | C8 | O10 | C11 | 8.2° | 26.6° |
C8 | C9 | O8 | H19 | 180.0° | 180.0° |
C9 | C8 | O7 | C1 | 164.7° | 175.6° |
O7 | C8 | C9 | C10 | 75.6° | 121.6° |
O7 | C8 | C9 | O8 | 46.5° | 2.9° |
O7 | C8 | C9 | H13 | 169.2° | 119.8° |
O7 | C8 | O10 | C11 | 106.5° | 146.0° |
O10 | C8 | C9 | C10 | 24.3° | 2.1° |
O10 | C8 | C9 | O8 | 146.4° | 116.6° |
O10 | C8 | C9 | H13 | 90.8° | 120.7° |
C8 | O10 | C11 | C10 | 11.8° | 40.1° |
C8 | O10 | C11 | C12 | 136.5° | 158.6° |
C8 | O10 | C11 | H15 | 104.8° | 78.5° |
O10 | C8 | O7 | C1 | 55.0° | 66.5° |
C10 | C9 | O8 | H13 | 123.5° | 122.6° |
C9 | C10 | C11 | O9 | 119.5° | 118.2° |
C9 | C10 | C11 | H14 | 117.1° | 118.2° |
C9 | C10 | O9 | H14 | 121.6° | 123.6° |
C9 | C10 | C11 | C12 | 147.2° | 155.5° |
C9 | C10 | C11 | O10 | 27.1° | 37.0° |
C9 | C10 | C11 | H15 | 90.5° | 81.7° |
C10 | C9 | O8 | H19 | 65.3° | 65.2° |
C9 | C10 | O9 | H20 | 180.0° | 180.0° |
O8 | C9 | C10 | C11 | 151.4° | 139.6° |
O8 | C9 | C10 | O9 | 88.2° | 102.2° |
O8 | C9 | C10 | H14 | 34.3° | 21.4° |
H13 | C9 | C10 | C11 | 84.3° | 97.8° |
H13 | C9 | C10 | O9 | 36.0° | 20.4° |
H13 | C9 | C10 | H14 | 158.5° | 144.0° |
H13 | C9 | O8 | H19 | 58.2° | 57.4° |
C11 | C10 | O9 | H14 | 122.5° | 123.7° |
C10 | C11 | C12 | O10 | 118.4° | 114.0° |
C10 | C11 | C12 | H15 | 122.3° | 122.9° |
C10 | C11 | O10 | H15 | 116.6° | 118.6° |
C10 | C11 | C12 | O11 | 176.2° | 175.0° |
C10 | C11 | C12 | H16 | 55.9° | 55.0° |
C10 | C11 | C12 | H17 | 63.6° | 65.0° |
C11 | C10 | O9 | H20 | 64.1° | 67.3° |
O9 | C10 | C11 | C12 | 93.3° | 86.3° |
O9 | C10 | C11 | O10 | 146.6° | 155.2° |
O9 | C10 | C11 | H15 | 29.0° | 36.5° |
H14 | C10 | C11 | C12 | 30.0° | 37.4° |
H14 | C10 | C11 | O10 | 90.1° | 81.1° |
H14 | C10 | C11 | H15 | 152.4° | 160.2° |
H14 | C10 | O9 | H20 | 58.4° | 56.3° |
C12 | C11 | O10 | H15 | 118.6° | 123.0° |
C11 | C12 | O11 | H16 | 120.2° | 120.0° |
C11 | C12 | O11 | H17 | 120.2° | 120.0° |
C11 | C12 | H16 | H17 | 119.3° | 120.0° |
C11 | C12 | O11 | H21 | 180.0° | 180.0° |
O10 | C11 | C12 | O11 | 65.4° | 71.0° |
O10 | C11 | C12 | H16 | 174.3° | 169.1° |
O10 | C11 | C12 | H17 | 54.8° | 49.0° |
H15 | C11 | C12 | O11 | 53.9° | 52.1° |
H15 | C11 | C12 | H16 | 66.3° | 67.8° |
H15 | C11 | C12 | H17 | 174.2° | 172.1° |
O11 | C12 | H16 | H17 | 119.3° | 120.0° |
H16 | C12 | O11 | H21 | 59.7° | 60.0° |
H17 | C12 | O11 | H21 | 59.8° | 60.0° |
O18 | C17 | C16 | H27 | 119.9° | 120.0° |
O18 | C17 | C16 | H28 | 119.9° | 120.0° |
O18 | C17 | C16 | O19 | 65.8° | 65.0° |
O18 | C17 | C16 | C18 | 56.8° | 175.1° |
O18 | C17 | C16 | H26 | 176.4° | 55.0° |
O18 | C17 | H27 | H28 | 120.3° | 120.1° |
C17 | C16 | O19 | C18 | 125.5° | 120.0° |
C17 | C16 | O19 | H26 | 117.2° | 120.1° |
C17 | C16 | C18 | H26 | 119.8° | 120.1° |
C17 | C16 | O19 | C13 | 177.1° | 178.8° |
C17 | C16 | C18 | O17 | 61.5° | 62.5° |
C17 | C16 | C18 | C15 | 178.4° | 177.6° |
C16 | C17 | H27 | H28 | 120.3° | 120.0° |
C17 | C16 | C18 | H31 | 59.0° | 57.6° |
C16 | C17 | O18 | H33 | 180.0° | 180.0° |
O19 | C16 | C18 | H26 | 118.0° | 120.0° |
C16 | O19 | C13 | O12 | 64.1° | 58.8° |
O19 | C16 | C18 | O17 | 176.2° | 177.5° |
C16 | O19 | C13 | C14 | 55.8° | 61.2° |
O19 | C16 | C18 | C15 | 56.1° | 57.6° |
C16 | O19 | C13 | H22 | 177.3° | 178.9° |
O19 | C16 | C17 | H27 | 174.3° | 175.0° |
O19 | C16 | C17 | H28 | 54.1° | 55.0° |
O19 | C16 | C18 | H31 | 63.2° | 62.3° |
C18 | C16 | O19 | C13 | 57.4° | 61.2° |
C16 | C18 | O17 | C15 | 120.3° | 119.7° |
C16 | C18 | O17 | H31 | 119.8° | 120.1° |
C16 | C18 | C15 | H31 | 119.0° | 119.9° |
C16 | C18 | C15 | C14 | 54.8° | 57.0° |
C16 | C18 | C15 | O16 | 176.8° | 176.9° |
C16 | C18 | C15 | H25 | 64.2° | 62.9° |
C18 | C16 | C17 | H27 | 63.1° | 55.1° |
C18 | C16 | C17 | H28 | 176.7° | 64.9° |
C16 | C18 | O17 | H32 | 180.0° | 60.0° |
O19 | C13 | O12 | C14 | 123.0° | 120.0° |
O19 | C13 | O12 | H22 | 118.8° | 120.1° |
O19 | C13 | C14 | H22 | 121.9° | 120.0° |
O19 | C13 | C14 | C15 | 50.6° | 57.6° |
O19 | C13 | C14 | O13 | 166.9° | 177.6° |
O19 | C13 | O12 | H23 | 180.0° | 60.0° |
O19 | C13 | C14 | H24 | 70.5° | 62.3° |
C13 | O19 | C16 | H26 | 59.8° | 58.8° |
O12 | C13 | C14 | H22 | 118.4° | 120.0° |
O12 | C13 | C14 | C15 | 69.1° | 62.4° |
O12 | C13 | C14 | O13 | 47.2° | 57.5° |
O12 | C13 | C14 | H24 | 169.8° | 177.6° |
O17 | C18 | C15 | H31 | 120.2° | 120.2° |
O17 | C18 | C15 | C14 | 175.6° | 176.9° |
O17 | C18 | C15 | O16 | 62.4° | 63.3° |
O17 | C18 | C15 | H25 | 56.6° | 57.0° |
O17 | C18 | C16 | H26 | 58.3° | 57.6° |
C13 | C14 | C15 | C18 | 51.7° | 57.0° |
C13 | C14 | C15 | O13 | 119.4° | 119.9° |
C13 | C14 | C15 | H24 | 121.2° | 120.0° |
C13 | C14 | C15 | O16 | 175.5° | 176.8° |
C13 | C14 | O13 | H24 | 122.1° | 120.2° |
C13 | C14 | O13 | P1 | 109.1° | 120.0° |
C14 | C13 | O12 | H23 | 57.0° | 180.0° |
C13 | C14 | C15 | H25 | 67.4° | 62.9° |
C18 | C15 | C14 | O16 | 123.8° | 119.9° |
C18 | C15 | C14 | H25 | 119.1° | 119.9° |
C18 | C15 | O16 | H25 | 118.8° | 120.2° |
C18 | C15 | C14 | O13 | 171.2° | 176.9° |
C18 | C15 | C14 | H24 | 69.5° | 63.0° |
C15 | C18 | C16 | H26 | 61.8° | 62.4° |
C18 | C15 | O16 | H30 | 180.0° | 60.5° |
C15 | C18 | O17 | H32 | 59.7° | 179.7° |
C14 | C15 | O16 | H25 | 116.6° | 120.2° |
C15 | C14 | O13 | H24 | 118.5° | 120.1° |
C15 | C14 | O13 | P1 | 131.6° | 120.3° |
C15 | C14 | C13 | H22 | 172.4° | 177.6° |
C14 | C15 | O16 | H30 | 55.3° | 180.0° |
C14 | C15 | C18 | H31 | 64.2° | 62.9° |
O16 | C15 | C14 | O13 | 65.0° | 63.2° |
O16 | C15 | C14 | H24 | 54.3° | 56.9° |
O16 | C15 | C18 | H31 | 57.8° | 56.9° |
C14 | O13 | P1 | O14 | 157.2° | 55.0° |
C14 | O13 | P1 | O15 | 26.0° | 65.0° |
O13 | C14 | C13 | H22 | 71.3° | 62.5° |
O13 | C14 | C15 | H25 | 52.1° | 57.0° |
C14 | O13 | P1 | O3 | 85.5° | 175.0° |
O13 | P1 | O14 | O15 | 120.6° | 120.0° |
O13 | P1 | O14 | O3 | 114.7° | 120.0° |
O13 | P1 | O15 | O3 | 111.5° | 120.0° |
P1 | O13 | C14 | H24 | 13.0° | 0.2° |
O13 | P1 | O15 | H29 | 122.0° | 60.0° |
O14 | P1 | O15 | O3 | 126.4° | 120.0° |
O14 | P1 | O15 | H29 | 0.0° | 180.0° |
H22 | C13 | O12 | H23 | 61.2° | 60.1° |
H22 | C13 | C14 | H24 | 51.4° | 57.7° |
H24 | C14 | C15 | H25 | 171.4° | 177.1° |
H25 | C15 | O16 | H30 | 61.2° | 59.8° |
H25 | C15 | C18 | H31 | 176.9° | 177.2° |
H26 | C16 | C17 | H27 | 56.5° | 64.9° |
H26 | C16 | C17 | H28 | 63.7° | 175.1° |
H26 | C16 | C18 | H31 | 178.8° | 177.7° |
H27 | C17 | O18 | H33 | 60.1° | 60.0° |
H28 | C17 | O18 | H33 | 60.1° | 60.0° |
H29 | O15 | P1 | O3 | 126.4° | 60.0° |
H31 | C18 | O17 | H32 | 60.2° | 60.1° |